# generated using pymatgen data_Yb3Se2(BrO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70516400 _cell_length_b 6.70516313 _cell_length_c 13.06935661 _cell_angle_alpha 84.97835832 _cell_angle_beta 84.97835704 _cell_angle_gamma 47.14696250 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb3Se2(BrO3)2 _chemical_formula_sum 'Yb6 Se4 Br4 O12' _cell_volume 428.79226057 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Yb Yb0 1 0.58750844 0.41249156 0.25000000 1.0 Yb Yb1 1 0.41249156 0.58750844 0.75000000 1.0 Yb Yb2 1 0.80666306 0.76356768 0.34336652 1.0 Yb Yb3 1 0.23643232 0.19333694 0.15663348 1.0 Yb Yb4 1 0.19333694 0.23643232 0.65663348 1.0 Yb Yb5 1 0.76356768 0.80666306 0.84336652 1.0 Se Se6 1 0.11782465 0.06762598 0.38024374 1.0 Se Se7 1 0.93237402 0.88217535 0.11975626 1.0 Se Se8 1 0.88217535 0.93237402 0.61975626 1.0 Se Se9 1 0.06762598 0.11782465 0.88024374 1.0 Br Br10 1 0.33751913 0.35714651 0.44633459 1.0 Br Br11 1 0.64285349 0.66248087 0.05366541 1.0 Br Br12 1 0.66248087 0.64285349 0.55366541 1.0 Br Br13 1 0.35714651 0.33751913 0.94633459 1.0 O O14 1 0.94932356 0.36185396 0.30205893 1.0 O O15 1 0.63814604 0.05067644 0.19794107 1.0 O O16 1 0.05067644 0.63814604 0.69794107 1.0 O O17 1 0.36185396 0.94932356 0.80205893 1.0 O O18 1 0.40408028 0.85407516 0.30086587 1.0 O O19 1 0.14592484 0.59591972 0.19913413 1.0 O O20 1 0.59591972 0.14592484 0.69913413 1.0 O O21 1 0.85407516 0.40408028 0.80086587 1.0 O O22 1 0.91838732 0.00981129 0.35711747 1.0 O O23 1 0.99018871 0.08161268 0.14288253 1.0 O O24 1 0.08161268 0.99018871 0.64288253 1.0 O O25 1 0.00981129 0.91838732 0.85711747 1.0